2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

C16H24N4O2S — CID 131942046

IUPAC2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(C(=O)N2CCCCC2c2nccs2)C1
InChIInChI=1S/C16H24N4O2S/c17-14(21)11-19-7-3-4-12(10-19)16(22)20-8-2-1-5-13(20)15-18-6-9-23-15/h6,9,12-13H,1-5,7-8,10-11H2,(H2,17,21)
InChIKeyZWGQEWQPKBKWBY-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.39
Rot. Bonds4

About 2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 131942046) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID131942046
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(C(=O)N2CCCCC2c2nccs2)C1
InChIInChI=1S/C16H24N4O2S/c17-14(21)11-19-7-3-4-12(10-19)16(22)20-8-2-1-5-13(20)15-18-6-9-23-15/h6,9,12-13H,1-5,7-8,10-11H2,(H2,17,21)
InChIKeyZWGQEWQPKBKWBY-UHFFFAOYSA-N
XLogP1.39
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
2-[3-(2-pyridin-2-ylpiperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 131908358
(3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119873463
cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 97154928
4-piperidin-1-yl-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 97194601
(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95770198
2-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]acetamide
CID 163357599
2-methoxy-1-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97202324
2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 99972667
cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 58171477
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97191446
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (CID 131942046) is 2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is NC(=O)CN1CCCC(C(=O)N2CCCCC2c2nccs2)C1.
What is the InChIKey of 2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is ZWGQEWQPKBKWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c17-14(21)11-19-7-3-4-12(10-19)16(22)20-8-2-1-5-13(20)15-18-6-9-23-15/h6,9,12-13H,1-5,7-8,10-11H2,(H2,17,21).
What are the key properties of 2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 336.46 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 131942046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).